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Comparative chemometric analysis, ranking and selection of lipophilicity parameters of 6-chloro-1,3,5-triazine derivatives with acyclic and cyclic substituents [PDF]
Acta Periodica Technologica, 2022 In the present paper, the chemometric analysis, ranking and selection of the most suitable in silico lipophilicity parameters of eight alkyl and cycloalkyl s-triazine derivatives were carried out.
Salaković Benjamin +5 more
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Molecules, 2022 This study aimed to evaluate the lipophilicity of a series substances lowering the concentration of uric acid in blood and anti-androgen drugs by thin-layer chromatography in reversed-phase systems (RP-TLC, RP-HPTLC) and computational methods.
Dawid Wardecki +3 more
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Density functional theory calculation of lipophilicity for organophosphate type pesticides [PDF]
Journal of the Serbian Chemical Society, 2017 Density functional method with continuum solvation model is used for calculation of partition coefficient logKOW and determination of lipophilicity of 22 most frequently used organophosphate type pesticides. Excellent agreement with experimental
Vlahović Filip +3 more
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Lipophilicity and ADMET Analysis of Quinoline-1,4-quinone Hybrids
Pharmaceutics, 2022 Lipophilicity is one of the basic properties of a potential drug determining its solubility in non-polar solvents and, consequently, its ability to passively penetrate the cell membrane, as well as the occurrence of various pharmacokinetic processes ...
Monika Kadela-Tomanek +3 more
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Medical Sciences Forum, 2022 The aim of this work was the use of both cluster analysis (CA) and Principal Component Analysis (PCA) for the evaluation of the lipophilicity of selected antiandrogen drugs such as abiraterone, bicalutamide, flutamide, nilutamide, leflunomide ...
Dawid Wardecki +2 more
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Correlation between the lipophilicity and antifungal activity of some benzoxazole derivatives [PDF]
Acta Periodica Technologica, 2010 In the present work, a quantitative relationship between the lipophilicity and antifungal activity of some benzoxazole derivatives against Candida albicans was investigated by using QSAR (quantitative structure-activity relationship) analyses.
Podunavac-Kuzmanović Sanja O. +1 more
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Macedonian Journal of Chemistry and Chemical Engineering, 2023 In this study, eco-friendly microwave-assisted esterification reactions of chenodeoxycholic acid with medium-chain diols (1,2-ethanediol, 1,4-butanediol, 1,6-hexanediol, 1,8-octanediol, and 1,10-decanediol) or tetraethylene glycol were accomplished. The
Ksenija Pavlović +6 more
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Chemosensors, 2022 Lipophilicity is one of many parameters involved in the biological activity of drugs, as it affects their pharmacokinetic and pharmacodynamic behavior.
José X. Soares +3 more
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Frontiers in Pharmacology, 2023 Introduction: Deaths due to overdose of fentanyls result primarily from depression of respiration. These potent opioids can also produce muscle rigidity in the diaphragm and the chest muscles, a phenomenon known as Wooden Chest Syndrome, which further ...
Damiana Cavallo +3 more
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Lipophilicity trends upon fluorination of isopropyl, cyclopropyl and 3-oxetanyl groups
Beilstein Journal of Organic Chemistry, 2020 A systematic comparison of lipophilicity modulations upon fluorination of isopropyl, cyclopropyl and 3-oxetanyl substituents, at a single carbon atom, is provided using directly comparable, and easily accessible model compounds.
Benjamin Jeffries +9 more
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